International Tables for Crystallography

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Macromolecular model building and validation using Coot
P. Emsley, B. Lohkamp and K. Cowtan. International Tables for Crystallography (2012). Vol. F, ch. 17.1, pp. 443-447  [ doi:10.1107/97809553602060000853 ]

Abstract

The Coot software package is a tool for interactive macromolecular model building and validation. The software is designed to be easy to learn for novice users by ensuring that tools for common tasks are `discoverable' without consulting the documentation, while also providing enhanced usability for experts through customizable key bindings and extensive scripting interfaces. These considerations have resulted in substantial use throughout the crystallographic community. Coot displays electron-density maps and atomic models, and allows model manipulations such as idealization, real-space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mutations, rotamers and Ramachandran idealization. Several of the most important tools are described together with the underlying methods employed.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.